ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007166
RECORD_TITLE: NERYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: NERYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
CH$LINK: INCHIKEY HIGQPQRQIQDZMP-FLIBITNWSA-N
CH$LINK: COMPTOX DTXSID2047068

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014l-9100000000-93c6abc7985ec7f0a488
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  18 1.13 11
  27 5.34 53
  28 1.24 12
  29 4.04 40
  39 9.03 90
  40 2.39 24
  41 48.66 487
  42 3.35 34
  43 45.97 460
  44 1.15 12
  51 1.58 16
  52 1.14 11
  53 10.58 106
  54 1.15 12
  55 4.75 48
  65 2.12 21
  66 1.42 14
  67 12.89 129
  68 41.76 418
  69 99.99 999
  70 6.09 61
  71 1.23 12
  77 3.08 31
  79 5.16 52
  80 16.9 169
  81 8.89 89
  82 1.18 12
  83 1.82 18
  84 6.25 63
  85 4.34 43
  91 3.46 35
  92 6.72 67
  93 35.69 357
  94 5.6 56
  95 2.46 25
  97 1.41 14
  105 1.46 15
  107 5.08 51
  108 1.25 13
  121 15.03 150
  122 1.44 14
  123 1.59 16
  127 1.01 10
  136 14.9 149
  137 2.5 25
  154 2.22 22
//